5DDR
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![BU of 5ddr by Molmil](/molmil-images/mine/5ddr) | L-glutamine riboswitch bound with L-glutamine soaked with Cs+ | Descriptor: | CESIUM ION, GLUTAMINE, L-glutamine riboswitch RNA (61-MER), ... | Authors: | Ren, A, Patel, D.J. | Deposit date: | 2015-08-25 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch. Cell Rep, 13, 2015
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4FPP
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![BU of 4fpp by Molmil](/molmil-images/mine/4fpp) | Bacterial phosphotransferase | Descriptor: | GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Fioravanti, A, Clantin, B, Dewitte, F, Lens, Z, Verger, A, Biondi, E, Villeret, V. | Deposit date: | 2012-06-22 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into ChpT, an essential dimeric histidine phosphotransferase regulating the cell cycle in Caulobacter crescentus. Acta Crystallogr.,Sect.F, 68, 2012
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4F8Q
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![BU of 4f8q by Molmil](/molmil-images/mine/4f8q) | Crystal Structure of the Human BTN3A2 Ectodomain | Descriptor: | Butyrophilin subfamily 3 member A2 | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | Deposit date: | 2012-05-17 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3789 Å) | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012
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4WEB
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![BU of 4web by Molmil](/molmil-images/mine/4web) | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMAMIDE, Mouse Fab Heavy Chain, ... | Authors: | Khan, A.G, Whidby, J, Miller, M.T, Scarborough, H, Zatorski, A.V, Cygan, A, Price, A.A, Yost, S.A, Bohannon, C.D, Jacob, J, Grakoui, A, Marcotrigiano, J. | Deposit date: | 2014-09-09 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2. Nature, 509, 2014
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4FFN
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![BU of 4ffn by Molmil](/molmil-images/mine/4ffn) | PylC in complex with D-ornithine and AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ... | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2012-06-01 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution. J.Mol.Biol., 424, 2012
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2GHI
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![BU of 2ghi by Molmil](/molmil-images/mine/2ghi) | Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2 | Descriptor: | SULFATE ION, transport protein | Authors: | Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-27 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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2Y67
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![BU of 2y67 by Molmil](/molmil-images/mine/2y67) | New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation | Descriptor: | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D. | Deposit date: | 2011-01-20 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation. Eur.J.Med.Chem, 46, 2011
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5DOG
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![BU of 5dog by Molmil](/molmil-images/mine/5dog) | Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2015-09-11 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
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6ZAB
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![BU of 6zab by Molmil](/molmil-images/mine/6zab) | Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group) | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Naretto, A, Vigouroux, A, Legrand, P. | Deposit date: | 2020-06-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum. Nucleic Acids Res., 49, 2021
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5JQX
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![BU of 5jqx by Molmil](/molmil-images/mine/5jqx) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with phosphoglyceric acid (PGA) - GpgS*PGA | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase | Authors: | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | Deposit date: | 2016-05-05 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS. Structure, 25, 2017
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5JUC
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![BU of 5juc by Molmil](/molmil-images/mine/5juc) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+_2 | Descriptor: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ... | Authors: | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | Deposit date: | 2016-05-10 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS. Structure, 25, 2017
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1MJ0
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![BU of 1mj0 by Molmil](/molmil-images/mine/1mj0) | SANK E3_5: an artificial Ankyrin repeat protein | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SANK E3_5 Protein, SULFATE ION | Authors: | Kohl, A, Binz, H.K, Forrer, P, Stumpp, M.T, Plueckthun, A, Gruetter, M.G. | Deposit date: | 2002-08-26 | Release date: | 2003-01-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Designed to be stable: Crystal structure of a consensus ankyrin repeat protein Proc.Natl.Acad.Sci.USA, 100, 2003
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1M70
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![BU of 1m70 by Molmil](/molmil-images/mine/1m70) | |
1M8O
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![BU of 1m8o by Molmil](/molmil-images/mine/1m8o) | Platelet integrin alfaIIb-beta3 cytoplasmic domain | Descriptor: | platelet integrin alfaIIb subunit: cytoplasmic domain, platelet integrin beta3 subunit: cytoplasmic domain | Authors: | Vinogradova, O, Velyvis, A, Velyviene, A, Hu, B, Haas, T, Plow, E.F, Qin, J. | Deposit date: | 2002-07-25 | Release date: | 2002-09-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A Structural mechanism of integrin alfaiib beta3
"Inside-out" Activation as regulated by its cytoplasmic face. Cell(Cambridge,Mass.), 110, 2002
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1MOR
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1M4L
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![BU of 1m4l by Molmil](/molmil-images/mine/1m4l) | STRUCTURE OF NATIVE CARBOXYPEPTIDASE A AT 1.25 RESOLUTION | Descriptor: | CARBOXYPEPTIDASE A, ZINC ION | Authors: | Kilshtain-Vardi, A, Glick, M, Greenblatt, H.M, Goldblum, A, Shoham, G. | Deposit date: | 2002-07-03 | Release date: | 2003-01-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Refined structure of bovine carboxypeptidase A at 1.25 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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1W1O
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![BU of 1w1o by Molmil](/molmil-images/mine/1w1o) | Native Cytokinin Dehydrogenase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE 1, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
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7QKA
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![BU of 7qka by Molmil](/molmil-images/mine/7qka) | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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1W1R
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![BU of 1w1r by Molmil](/molmil-images/mine/1w1r) | Plant Cytokinin Dehydrogenase in Complex with trans-Zeatin | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
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2XPC
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![BU of 2xpc by Molmil](/molmil-images/mine/2xpc) | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | Descriptor: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | Deposit date: | 2010-08-26 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid. Eur.J.Med.Chem, 46, 2011
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1M5S
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![BU of 1m5s by Molmil](/molmil-images/mine/1m5s) | Formylmethanofuran:tetrahydromethanopterin fromyltransferase from Methanosarcina barkeri | Descriptor: | Formylmethanofuran--tetrahydromethanopterin formyltransferase | Authors: | Mamat, B, Roth, A, Grimm, C, Ermler, U, Tziatzios, C, Schubert, D, Thauer, R.K, Shima, S. | Deposit date: | 2002-07-10 | Release date: | 2002-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures and enzymatic properties of three formyltransferases from archaea: environmental adaptation and evolutionary relationship. Protein Sci., 11, 2002
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1MBY
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![BU of 1mby by Molmil](/molmil-images/mine/1mby) | Murine Sak Polo Domain | Descriptor: | serine/threonine kinase | Authors: | Leung, G.C, Hudson, J.W, Kozarova, A, Davidson, A, Dennis, J.W, Sicheri, F. | Deposit date: | 2002-08-04 | Release date: | 2002-10-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Sak polo-box comprises a structural domain sufficient for mitotic subcellular localization. Nat.Struct.Biol., 9, 2002
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1W84
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![BU of 1w84 by Molmil](/molmil-images/mine/1w84) | p38 Kinase crystal structure in complex with small molecule inhibitor | Descriptor: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | Deposit date: | 2004-09-16 | Release date: | 2005-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem., 48, 2005
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8S0P
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![BU of 8s0p by Molmil](/molmil-images/mine/8s0p) | A fragment-based inhibitor of SHP2 | Descriptor: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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1MOQ
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![BU of 1moq by Molmil](/molmil-images/mine/1moq) | ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSAMINE 6-PHOSPHATE | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, ... | Authors: | Teplyakov, A. | Deposit date: | 1997-04-11 | Release date: | 1998-10-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Involvement of the C terminus in intramolecular nitrogen channeling in glucosamine 6-phosphate synthase: evidence from a 1.6 A crystal structure of the isomerase domain. Structure, 6, 1998
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